[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

C25H24N6O2 — CID 125024145

About [(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (PubChem CID 125024145) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is [(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
• PubChem CID: 125024145
• Molecular Formula: C25H24N6O2
• Molecular Weight: 440.51 g/mol
• Exact Mass: 440.20
• IUPAC Name: [(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
• SMILES: Cc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1
• InChI: InChI=1S/C25H24N6O2/c1-18-6-2-3-8-22(18)33-24-16-26-15-21(29-24)20-7-4-12-30(17-20)25(32)19-9-10-23(27-14-19)31-13-5-11-28-31/h2-3,5-6,8-11,13-16,20H,4,7,12,17H2,1H3/t20-/m1/s1
• InChIKey: ZDJKLUPMRCPXFK-HXUWFJFHSA-N
• XLogP: 4.18
• TPSA: 86.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.51
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?

The IUPAC name of [(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (CID 125024145) is [(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.

What is the SMILES notation for [(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?

The canonical SMILES for [(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is Cc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1.

What is the InChIKey of [(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?

The InChIKey is ZDJKLUPMRCPXFK-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-18-6-2-3-8-22(18)33-24-16-26-15-21(29-24)20-7-4-12-30(17-20)25(32)19-9-10-23(27-14-19)31-13-5-11-28-31/h2-3,5-6,8-11,13-16,20H,4,7,12,17H2,1H3/t20-/m1/s1.

What are the key properties of [(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?

[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone has a molecular weight of 440.51 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 125024145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).